A series of novel flavone derivatives were designed, synthesized, and evaluated for their H3 R inhibitory activity. The results showed that four compounds exhibited significant anti-H3 R activity. Molecular docking experiments indicated that a salt bridge, hydrogen-bonding, and hydrophobic interactions all contributed to interactions between inhibitors and H3 R.
Keywords: H3R inhibitor; crystal structure; flavone; homology modeling; molecular docking.
© 2017 John Wiley & Sons A/S.